Sodium ion → Methyl-(2-triisopropylsilanylsulfanyl-benzyl)-carbamic acid tert-butyl ester

HRID 693572

Reaction equation

HRID 693572 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH2:9][c:10]1[c:11]([I:16])[cH:12][cH:13][cH:14][cH:15]1)=[O:17].[CH3:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[CH3:57][C:58]([CH3:59])([O-:60])[CH3:61].[CH:63]([CH3:64])([CH3:65])[Si:66]([SH:67])([CH:68]([CH3:69])[CH3:70])[CH:71]([CH3:72])[CH3:73].[Na+:62].[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:74].[Pd:75].[c:18]1([P:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH2:9][c:10]1[c:11]([S:67][Si:66]([CH:63]([CH3:64])[CH3:65])([CH:68]([CH3:69])[CH3:70])[CH:71]([CH3:72])[CH3:73])[cH:12][cH:13][cH:14][cH:15]1)=[O:17]

Participants

9

Reactant 8

HCID 923Sodium ionHCID 1140TolueneHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 3435097Tris(propan-2-yl)silanethiolHCID 4285986Bis[2-(diphenylphosphino)phenyl] etherHCID 45749132-Methylpropan-2-olateHCID 67018447tert-Butyl 2-iodobenzyl(methyl)carbamate

Product 1

HCID 67018449Methyl-(2-triisopropylsilanylsulfanyl-benzyl)-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-b497f4cb98454b308153b077205c5889
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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